3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one

C19H15N5O — CID 134808694

IUPAC3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3cccnc3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C19H15N5O/c25-19-18-16(21-13-24(19)12-14-5-2-1-3-6-14)8-9-17(23-18)22-15-7-4-10-20-11-15/h1-11,13H,12H2,(H,22,23)
InChIKeyZMLNKAVTOKAUAE-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.98
Rot. Bonds4

About 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one

3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one (PubChem CID 134808694) has the molecular formula C19H15N5O and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
PubChem CID134808694
Molecular FormulaC19H15N5O
Molecular Weight329.36 g/mol
Exact Mass329.13
IUPAC Name3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one
SMILESO=c1c2nc(Nc3cccnc3)ccc2ncn1Cc1ccccc1
InChIInChI=1S/C19H15N5O/c25-19-18-16(21-13-24(19)12-14-5-2-1-3-6-14)8-9-17(23-18)22-15-7-4-10-20-11-15/h1-11,13H,12H2,(H,22,23)
InChIKeyZMLNKAVTOKAUAE-UHFFFAOYSA-N
XLogP2.98
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-benzylpyrido[4,3-d]pyrimidin-4-one
CID 102429043
3-[(4-phenylphenyl)methyl]pyrido[3,2-d]pyrimidin-4-one
CID 121275650
3-benzyl-6-(3,4-dimethoxyphenyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810809
5-bromo-6-methyl-3-(pyridin-3-ylmethyl)pyrimidin-4-one
CID 66308769
2-methyl-6-[2-(pyridin-3-ylamino)ethyl]pyrazolo[4,3-d]pyrimidin-7-one
CID 56917426
4-oxo-N-pyridin-3-yl-3-(pyridin-4-ylmethyl)thieno[2,3-d]pyrimidine-5-carboxamide
CID 71035893
3-benzyl-4-oxo-N-pyridin-3-ylphthalazine-1-carboxamide
CID 26592291
3-benzyl-7-hydrazinylquinazolin-4-one
CID 69437236
3-benzylimidazo[4,5-b]pyridine
CID 11009167
1-benzyl-2-oxo-N-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 7620300
1-(pyridin-3-ylmethyl)pyrimidin-2-one
CID 115590423
1-benzyl-6-(2-phenoxyethylamino)pyrido[3,2-d]pyrimidin-4-one
CID 134805271

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one?
The IUPAC name of 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one (CID 134808694) is 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one?
The canonical SMILES for 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one is O=c1c2nc(Nc3cccnc3)ccc2ncn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one?
The InChIKey is ZMLNKAVTOKAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O/c25-19-18-16(21-13-24(19)12-14-5-2-1-3-6-14)8-9-17(23-18)22-15-7-4-10-20-11-15/h1-11,13H,12H2,(H,22,23).
What are the key properties of 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one?
3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one has a molecular weight of 329.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-(pyridin-3-ylamino)pyrido[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 134808694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).